Decahydrobiphenylene-1,8-dione

Base Information

• Chemical Name: Decahydrobiphenylene-1,8-dione
• CAS No.: 28289-68-1
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• DSSTox Substance ID: DTXSID90445340
• Nikkaji Number: J393.260E
• Mol file: 28289-68-1.mol

Synonyms:Decahydrobiphenylene-1,8-dione;5230-92-2;28289-68-1;2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione;Octahydrobiphenylene-1,8(8aH,8bH)-dione;DTXSID90445340;AKOS006322913;DODECAHYDROBIPHENYLENE-1,8-DIONE

Chemical Property of Decahydrobiphenylene-1,8-dione

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2C3CCCC(=O)C3C2C(=O)C1

Technology Process of Decahydrobiphenylene-1,8-dione

There total 2 articles about Decahydrobiphenylene-1,8-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cyclohexenone (930-68-7) + triethylamine (121-44-8) → octahydrobiphenylene-1,5(4bH,8bH)-dione (28289-69-2) + Decahydro-biphenylene-1,8-dione (28289-68-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 3-(1-Diethylamino-ethyl)-cyclohexanone (132377-12-9,132377-13-0)

Guidance literature:

at 30 - 35 ℃; Product distribution; Irradiation;

DOI:10.1021/jo00005a039

Reference yield:

cyclohexenone (930-68-7) → (4aR,4bR)-Decahydro-biphenylene-1,8-dione (5230-92-2,28289-68-1,53092-46-9,140223-46-7,150339-14-3,150339-15-4,150339-17-6) + (4aR,8aS)-Octahydro-biphenylene-1,5-dione (712-27-6,712-28-7,28289-69-2,142695-00-9,150339-16-5) + (4aS,8aS)-Octahydro-biphenylene-1,5-dione (712-27-6,712-28-7,28289-69-2,142695-00-9,150339-16-5)

Guidance literature:

With saponite clay; In benzene; for 10h; Product distribution; Ambient temperature; Irradiation; other cycloenones, var. reagents;

DOI:10.1246/cl.1992.1405

upstream raw materials:

cyclohexenone

triethylamine